Crystallography Open Database

Information card for entry 7230161

Preview

Coordinates	7230161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl3 N O Rh
Calculated formula	C23 H25 Cl3 N O Rh
SMILES	[Rh]12345(Cl)([c]6([c]4([c]5([c]3([c]26C)C)C)C)C)[n]2ccccc2C(=O)c2c1cccc2.ClCCl
Title of publication	Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products
Authors of publication	Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	13
Pages of publication	7164
a	26.166 ± 0.005 Å
b	10.162 ± 0.002 Å
c	8.6509 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2300.3 ± 0.8 Å³
Cell temperature	104.66 ± 0.14 K
Ambient diffraction temperature	104.66 ± 0.14 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206443 (current)	2018-02-15	cif/ Adding structures of 7230161, 7230162, 7230163, 7230164, 7230165, 7230166, 7230167 via cif-deposit CGI script.	7230161.cif